3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 79655734

IUPAC3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(CCOC)C2CC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-15-14(13(17)18)7-6-12(10-14)16(8-9-19-2)11-4-5-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyKBEJVORAZWMZPN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds8

About 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79655734) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79655734
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(CCOC)C2CC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-15-14(13(17)18)7-6-12(10-14)16(8-9-19-2)11-4-5-11/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyKBEJVORAZWMZPN-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
3-[3-methoxypropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79651627
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
1-(ethylamino)-3-(3-methoxypropylsulfanyl)cyclopentane-1-carboxylic acid
CID 79656319
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79655734) is 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N(CCOC)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KBEJVORAZWMZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-15-14(13(17)18)7-6-12(10-14)16(8-9-19-2)11-4-5-11/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79655734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).